Isophorone diisocyanate, 98%, Thermo Scientific Chemicals

Description

This Thermo Scientific Chemicals brand product was originally part of the Acros Organics product portfolio. Some documentation and label information may refer to the legacy brand. The original Acros Organics product / item code or SKU reference has not changed as a part of the brand transition to Thermo Scientific Chemicals.

Specifications

Chemical Identifiers

• CAS: 4098-71-9
• Molecular Formula: C12H18N2O2
• Molecular Weight (g/mol): 222.29
• MDL Number: MFCD00064956
• InChI Key: NIMLQBUJDJZYEJ-UHFFFAOYNA-N
• Synonym: isophorone diisocyanate, ipdi, isophorone diamine diisocyanate, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethylcyclohexane, 3-isocyanatomethyl-3,5,5-trimethylcyclohexylisocyanate, cyclohexane, 5-isocyanato-1-isocyanatomethyl-1,3,3-trimethyl, 3-isocyanatomethyl-3,5,5-trimethylcyclohexyl isocyanate, ccris 6252, isocyanic acid, methylene 3,5,5-trimethyl-3,1-cyclohexylene ester, isophorone diisocyanate diisocyanates
• PubChem CID: 169132
• ChEBI: CHEBI:53214
• IUPAC Name: 5-isocyanato-1-(isocyanatomethyl)-1,3,3-trimethylcyclohexane
• SMILES: CC1(C)CC(CC(C)(CN=C=O)C1)N=C=O

• Color: Colorless to Yellow
• Density: 1.0610g/mL
• Boiling Point: 153.0°C (10.0 mmHg)
• Flash Point: 163°C
• Infrared Spectrum: Authentic
• Assay Percent Range: 97.5% min. (sum of mixed isomers) (GC)
• Packaging: Glass bottle
• Refractive Index: 1.4830 to 1.4850 (20°C, 589nm)
• Quantity: 250 mL
• Specific Gravity: 1.061
• Viscosity: 13-15 mPa.s (23°C)
• Formula Weight: 222.28
• Percent Purity: 98%
• Physical Form: Liquid
• Chemical Name or Material: Isophorone diisocyanate

Safety and Handling

Product Identifier

• Isophorone diisocyanate

Signal Word

• Danger

Hazard Category

• Acute toxicity Category 3
• LONG-TERM AQUATIC HAZARD Chronic 2
• Serious eye damage/eye irritation Category 2
• Respiratory sensitiser Category 1
• Skin corrosion/irritation Category 2
• Skin sensitiser Category 1
• Specific target organ toxicity Category 3

Hazard Statement

• H317-May cause an allergic skin reaction.
• H334-May cause allergy or asthma symptoms or breathing difficulties if inhaled.
• H315-Causes skin irritation.
• H319-Causes serious eye irritation.
• H411-Toxic to aquatic life with long lasting effects.
• H335-May cause respiratory irritation.
• H331-Toxic if inhaled.

Precautionary Statement

• P261-Avoid breathing dust/fume/gas/mist/vapours/spray.
• P273-Avoid release to the environment.
• P280-Wear protective gloves/protective clothing/eye protection/face protection.
• P302+P352-IF ON SKIN: Wash with plenty of water/.
• P305+P351+P338-IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.

RUO – Research Use Only